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(3S)-6-Benzenesulfonyl-3-methylhexanoic acid
SpectraBase Compound ID KvDgumQTstG
InChI InChI=1S/C13H18O4S/c1-11(10-13(14)15)6-5-9-18(16,17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey IDNCGIQZQNPIJX-NSHDSACASA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kc4tD9kMvG0
Name (3S)-6-Benzenesulfonyl-3-methylhexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-11(10-13(14)15)6-5-9-18(16,17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey IDNCGIQZQNPIJX-NSHDSACASA-N
Literature Reference DOI 10.1002/cjoc.200790252
Molecular Weight 270.343 g/mol
SMILES OC(C[C@](CCCS(=O)(c1ccccc1)=O)(C)[H])=O
SPLASH splash10-00nf-9300000000-5b120d5e903dbafb092f
Source of Spectrum CJC-25-1361-5
Synonyms (S)-3-methyl-6-(phenylsulfonyl)hexanoic acid (3S)-6-(benzenesulfonyl)-3-methylhexanoic acid (3S)-6-(benzenesulfonyl)-3-methyl-hexanoic acid (3S)-3-methyl-6-(phenylsulfonyl)hexanoic acid
Wiley ID 1772128